General Information of the Compound
| Compound ID |
CP0536938
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| Compound Name |
US9481682, 7
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| Structure |
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| Formula |
C30H31N7O2
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| Molecular Weight |
521.625
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| Canonical SMILES |
Nc1nccn2c(nc(-c3ccc(cc3)C(=O)Nc3cc(ccn3)C3CCC3)c12)[C@@H]1CC[C@H]2CCC(=O)N2C1
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| InChI |
InChI=1S/C30H31N7O2/c31-28-27-26(35-29(36(27)15-14-33-28)22-8-9-23-10-11-25(38)37(23)17-22)19-4-6-20(7-5-19)30(39)34-24-16-21(12-13-32-24)18-2-1-3-18/h4-7,12-16,18,22-23H,1-3,8-11,17H2,(H2,31,33)(H,32,34,39)/t22-,23+/m1/s1
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| InChIKey |
RJDUMQKZLXLIKK-PKTZIBPZSA-N
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| Physicochemical Property |
"RO5" indicates the cutoff set by lipinski's rule of five: (1) Molecular weight less than 500 Dalton; (2) xlogp less than 5; (3) No more than 5 hbonddonor (Hydrogen Bond Donor Count); (4) No more than 10 hbondacc (Hydrogen Bond Acceptor Count); (5) No more than 10 rotbonds (Rotatable Bond Count). Show/Hide
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Map of Molecular Bioactivity Related to the Compound
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Map of Molecular Bioactivity Related to the Compound Compound Cell Line Protein Bioactivity Value: <= 0.1 μM > 0.1 μM and <= 10 μM > 10 μM Imprecise Activity |
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Table of Molecular Bioactivities Related to the Compound